1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole
TL;DR: 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole (CAS 442650-22-8) is a chemical compound with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
Also Known As: 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole, 1-methanesulfonyl-3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyrazole, 3,5-bis(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole, F1138-0049, 3,5-bis(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole
| Molecular Formula | C18H20N2O2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 3.41414 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.12454 |
| Heavy Atoms | 23 |
| Complexity | 837.5953 |
Chemical Identifiers
| CAS Number | 442650-22-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2S(=O)(=O)C)C3=CC=C(C=C3)C |
Product Overview
1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole (CAS 442650-22-8), with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol. IUPAC: 3,5-bis(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.
Chemical Property Profile of 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole
Property Insights of 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole
The XLogP value of 3.41414 indicates that 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole?
The CAS number of 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole is 442650-22-8.
What is the molecular formula of 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole?
The molecular formula of 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole is C18H20N2O2S.
What is the molecular weight of 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole?
The molecular weight of 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole is 328.12 g/mol.
Where can I buy 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole?
You can request a quote for 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(methylsulfonyl)-3,5-di-p-tolyl-4,5-dihydro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.